(E)-1-(2,4-Dinitro-phen-yl)-2-[1-(thio-phen-2-yl)ethyl-idene]hydrazine

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Organic compounds containing nitro and thiophene groups exhibit diverse applications in materials science and pharmaceuticals.

Purpose of the Study:

• To elucidate the detailed molecular structure and crystal packing of the title compound, C(12)H(10)N(4)O(4)S.
• To analyze the conformational aspects, including dihedral angles and the orientation of functional groups.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, torsion angles, and intermolecular interactions (e.g., hydrogen bonds, van der Waals forces).

Main Results:

• The molecule exhibits a slight twist (8.23°) between the benzene and thiophene rings.
• One nitro group is nearly co-planar with the benzene ring, while the other shows a slight twist.
• Molecules form screw chains in the crystal lattice via weak C-H⋯O interactions.
• An intramolecular N-H⋯O hydrogen bond stabilizes the molecular conformation.

Conclusions:

• The study provides a precise structural characterization of C(12)H(10)N(4)O(4)S, highlighting its specific conformational preferences.
• The identified intermolecular interactions offer insights into the solid-state behavior and potential for crystal engineering.
• This detailed structural information serves as a foundation for further investigations into the compound's chemical and physical properties.